esculentin
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esculentin
structure -
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CAS No:
131889-89-9
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Formula:
C42H68O17
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Chemical Name:
esculentin
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Synonyms:
esculentin;esculentin steroid;DTXSID50927379;1-[3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,11,12,14,16-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,17-decahydrocyclopenta[a]phenanthren-16-yl]ethanone;16-acetyl-8,11,12,14,16-pentahydroxyandrost-5-en-3-yl 6-deoxy-3-o-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranoside;A809397;1-[3-[[5-[[5-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-8,11,12,14,16-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,17-decahydrocyclopenta[a]phenanthren-16-yl]ethanone;1-[3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,11,12,14,16-pentakis(oxidanyl)-1,2,3,4,7,9,11,12,15,17-decahydrocyclopenta[a]phenanthren-16-yl]ethanone;Pregn-5-en-20-one, 3-((O-6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl)oxy)-8,11,12,14,17-pentahydroxy-, (3beta,11alpha,12beta,14beta,17alpha)-
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CAS No:
Computed Properties
Molecular Weight:845.0
XLogP3:-1.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:10
Exact Mass:844.44565070
Monoisotopic Mass:844.44565070
Topological Polar Surface Area:242
Heavy Atom Count:59
Complexity:1570
Undefined Atom Stereocenter Count:22
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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